5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol

C8H16O3S — CID 143851287

IUPAC5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol
SMILESCOC1C(S)OC(C)C(C)C1O
InChIInChI=1S/C8H16O3S/c1-4-5(2)11-8(12)7(10-3)6(4)9/h4-9,12H,1-3H3
InChIKeyVCVNXEYIVCXCBB-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.67
Rot. Bonds1

About 5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol

5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol (PubChem CID 143851287) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol.

Molecular Properties

Compound Name5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol
PubChem CID143851287
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol
SMILESCOC1C(S)OC(C)C(C)C1O
InChIInChI=1S/C8H16O3S/c1-4-5(2)11-8(12)7(10-3)6(4)9/h4-9,12H,1-3H3
InChIKeyVCVNXEYIVCXCBB-UHFFFAOYSA-N
XLogP0.67
TPSA38.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol
CID 21122764
3-methoxy-4,5,6-trimethyloxan-2-ol
CID 58298710
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
(2R,3S,4S,5S,6S)-5-methoxy-6-methyloxane-2,3,4-triol
CID 156614259
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
(2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol
CID 56635069
(2S,3S,4R,5S,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol
CID 22815166
(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
CID 15558282
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
CID 130928120
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol?
The IUPAC name of 5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol (CID 143851287) is 5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol.
What is the SMILES notation for 5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol?
The canonical SMILES for 5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol is COC1C(S)OC(C)C(C)C1O.
What is the InChIKey of 5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol?
The InChIKey is VCVNXEYIVCXCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-4-5(2)11-8(12)7(10-3)6(4)9/h4-9,12H,1-3H3.
What are the key properties of 5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol?
5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol has a molecular weight of 192.28 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dimethyl-6-sulfanyloxan-4-ol is sourced from PubChem (CID 143851287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).